[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride

C10H17ClF2N2O2 — CID 67295581

IUPAC[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
SMILESCl.O=C(C1CCNC1)N1CC(F)(F)CC1CO
InChIInChI=1S/C10H16F2N2O2.ClH/c11-10(12)3-8(5-15)14(6-10)9(16)7-1-2-13-4-7;/h7-8,13,15H,1-6H2;1H
InChIKeyGWMQTTYZJHAYCL-UHFFFAOYSA-N
MW270.71 g/mol
LogP0.25
Rot. Bonds2

About [4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride

[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride (PubChem CID 67295581) has the molecular formula C10H17ClF2N2O2 and a molecular weight of 270.71 g/mol. Its IUPAC name is [4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
PubChem CID67295581
Molecular FormulaC10H17ClF2N2O2
Molecular Weight270.71 g/mol
Exact Mass270.09
IUPAC Name[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
SMILESCl.O=C(C1CCNC1)N1CC(F)(F)CC1CO
InChIInChI=1S/C10H16F2N2O2.ClH/c11-10(12)3-8(5-15)14(6-10)9(16)7-1-2-13-4-7;/h7-8,13,15H,1-6H2;1H
InChIKeyGWMQTTYZJHAYCL-UHFFFAOYSA-N
XLogP0.25
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.71
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride?
The IUPAC name of [4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride (CID 67295581) is [4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride.
What is the SMILES notation for [4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride?
The canonical SMILES for [4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride is Cl.O=C(C1CCNC1)N1CC(F)(F)CC1CO.
What is the InChIKey of [4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride?
The InChIKey is GWMQTTYZJHAYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O2.ClH/c11-10(12)3-8(5-15)14(6-10)9(16)7-1-2-13-4-7;/h7-8,13,15H,1-6H2;1H.
What are the key properties of [4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride?
[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride has a molecular weight of 270.71 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride is sourced from PubChem (CID 67295581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).